A. Hillisch

发表

Utility of homology models in the drug discovery process

R. Hilgenfeld, A. Hillisch, L. F. Pineda, 2004, Drug Discovery Today.

Modern Methods of Drug Discovery

R. Hilgenfeld, A. Hillisch, 2003, EXS.

Rendezvous in chemical space? Comparing the small molecule compound libraries of Bayer and Schering.

A. Hillisch, J. Schamberger, Michael Grimm, 2011, Drug discovery today.

Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence

N. Heinrich, A. Hillisch, H. Wild, 2015, ChemMedChem.

CypScore: Quantitative Prediction of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbital Theory

Timothy Clark, Matthias Hennemann, Alexander Hillisch, 2009, ChemMedChem.

Nanoinstrument Design: DNA-Based

S. Diekmann, A. Hillisch, 2014 .

Structure-based design, synthesis and in vitro characterization of potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors based on 2-substitutions of estrone and D-homo-estrone.

Jerzy Adamski, Christian Gege, Alexander Hillisch, 2009, Bioorganic & medicinal chemistry letters.

Introduction to biophysical methods for protein and nucleic acid research

A. Hillisch, 1997 .

Comparison of different heterocyclic scaffolds as substrate analog PDE5 inhibitors.

Thomas Lampe, Alexander Hillisch, Thomas Schenke, 2005, Bioorganic & medicinal chemistry letters.

Conception and pharmacodynamic profile of drospirenone

A. Hillisch, R. Garfield, S. Shi, 2003, Steroids.

Utility of protein structures in overcoming ADMET-related issues of drug-like compounds.

Alexander Hillisch, Andreas H Göller, A. Göller, 2011, Drug discovery today.

Impact of isotype-selective estrogen receptor agonists on ovarian function.

A. Hillisch, C. Hegele-hartung, D. Kosemund, 2004, Proceedings of the National Academy of Sciences of the United States of America.

Oral, direct thrombin and factor Xa inhibitors: the replacement for warfarin, leeches, and pig intestines?

Alexander Hillisch, A. Hillisch, S. Roehrig, 2011, Angewandte Chemie.

Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.

P. Lienau, R. Hillig, A. Hillisch, 2020, Journal of medicinal chemistry.

The Lab Oddity Prevails: Discovery of Pan‐CDK Inhibitor (R)‐S‐Cyclopropyl‐S‐(4‐{[4‐{[(1R,2R)‐2‐hydroxy‐1‐methylpropyl]oxy}‐5‐(trifluoromethyl)pyrimidin‐2‐yl]amino}phenyl)sulfoximide (BAY 1000394) for the Treatment of Cancer

Julia M. Schulze, H. Briem, P. Lienau, 2013, ChemMedChem.

Discovery of BAY 94‐8862: A Nonsteroidal Antagonist of the Mineralocorticoid Receptor for the Treatment of Cardiorenal Diseases

Alexander Hillisch, Joachim Mittendorf, A. Hillisch, 2012, ChemMedChem.

Protein structure-based drug design: applications, limitations and future developments

A. Hillisch, 2008, Chemistry Central Journal.

A Practical Total Synthesis of the Microbial Alkaline Proteinase Inhibitor (MAPI)

A. Hillisch, D. Haebich, Sherif El Sheikh, 2009, ChemMedChem.

Entering the era of non-basic p1 site groups: discovery of Xarelto (Rivaroxaban).

A. Hillisch, S. Roehrig, A. Straub, 2010, Current topics in medicinal chemistry.

Inhibitory effects of fluorine-substituted estrogens on the activity of 17beta-hydroxysteroid dehydrogenases

J. Adamski, A. Hillisch, G. Möller, 2006, Molecular and Cellular Endocrinology.

Cover Picture: The Lab Oddity Prevails: Discovery of Pan-CDK Inhibitor (R)-S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)sulfoximide (BAY 1000394) for the Treatment of Cancer (ChemMedChem 7/2013)

Julia M. Schulze, H. Briem, P. Lienau, 2013 .

Structure-Permeability Relationship of Semi-Peptidic Macrocycles - Understanding and Optimizing Passive Permeability and Efflux Ratio.

A. Göller, A. Hillisch, M. Wittwer, 2020, Journal of medicinal chemistry.

Global structure similarities of intact and nicked DNA complexed with IHF measured in solution by fluorescence resonance energy transfer.

S. Diekmann, S. Goodman, A. Hillisch, 1999, Nucleic acids research.

DNA bending induced by high mobility group proteins studied by fluorescence resonance energy transfer.

S. Diekmann, A. Travers, A. Hillisch, 1999, Biochemistry.

Finerenone Impedes Aldosterone-dependent Nuclear Import of the Mineralocorticoid Receptor and Prevents Genomic Recruitment of Steroid Receptor Coactivator-1*

M. Lombès, S. Viengchareun, A. Hillisch, 2015, The Journal of Biological Chemistry.

Modern methods of drug discovery: an introduction.

Alexander Hillisch, Rolf Hilgenfeld, R. Hilgenfeld, 2003, EXS.

Biological effects of ERalpha- and ERbeta-selective estrogens.

A. Hillisch, B. Lindenthal, C. Hegele-hartung, 2004, Ernst Schering Research Foundation workshop.

Recent advances in FRET: distance determination in protein-DNA complexes.

S. Diekmann, A. Hillisch, A Hillisch, 2001, Current opinion in structural biology.

Improving the hit-to-lead process: data-driven assessment of drug-like and lead-like screening hits.

Alexander Hillisch, Heinrich Meier, Mario Lobell, 2006, Drug discovery today.

The recognition of distorted DNA structures by HMG-D: a footprinting and molecular modelling study.

S. Diekmann, A. Travers, N. Lowe, 1999, Journal of molecular biology.

Fluorescence resonance energy transfer studies of U-shaped DNA molecules.

S. Diekmann, A. Hillisch, M. Lorenz, 2002, Journal of biotechnology.

Molecular Basis of the Interaction Specificity between the Human Glucocorticoid Receptor and Its Endogenous Steroid Ligand Cortisol

S. Diekmann, A. Hillisch, J. von Langen, 2005, Chembiochem : a European journal of chemical biology.

Nuclear Receptors as Targets in Cardiovascular Diseases

A. Hillisch, P. Kolkhof, S. Schäfer, 2008 .

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction

Andreas H. Göller, Robert Fraczkiewicz, Robert D. Clark, 2015, J. Chem. Inf. Model..

Transcriptional repressor CopR: Amino acids involved in forming the dimeric interface

A. Hillisch, Joachim Behlke, Katrin Steinmetzer, 2000, Proteins.

Transcriptional repressor CopR: Structure model‐based localization of the deoxyribonucleic acid binding motif

J. Behlke, A. Hillisch, K. Steinmetzer, 2000, Proteins.

A New Mode of Mineralocorticoid Receptor Antagonism by a Potent and Selective Nonsteroidal Molecule*

Alexander Hillisch, Stefan Schäfer, E. Pook, 2010, The Journal of Biological Chemistry.

Target 2035 – update on the quest for a probe for every protein

G. A. Bezerra, T. Willson, G. Superti-Furga, 2021, RSC medicinal chemistry.

The role of protein 3D-structures in the drug discovery process.

Alexander Hillisch, Rolf Hilgenfeld, R. Hilgenfeld, 2003, EXS.

Binding Free Energy Calculations for Lead Optimization: Assessment of Their Accuracy in an Industrial Drug Design Context.

Holger Gohlke, Nadine Homeyer, Alexander Hillisch, 2014, Journal of chemical theory and computation.

Dissecting Physiological Roles of Estrogen Receptor α and β with Potent Selective Ligands from Structure-Based Design

Alexander Hillisch, Olaf Peters, A. Hillisch, 2004 .

Protein structure-based design, synthesis strategy and in vitro pharmacological characterization of estrogen receptor alpha and beta selective compounds.

A. Hillisch, D. Kosemund, O. Peters, 2004, Ernst Schering Research Foundation workshop.

Biological Effects of ERα-and ERβ-Selective Estrogens

A. Hillisch, B. Lindenthal, C. Hegele-hartung, 2004 .

The remarkable influence of steroid A/B-ring junction on the Wittig olefination reaction of the 11-oxo group: Towards the synthesis of 5α- and 5β-oriented Δ3-isomers of desogestrel

A. Hillisch, S. Schwarz, G. Weber, 1998, Steroids.

Fluorescence energy transfer analysis of DNA structures containing several bulges and their interaction with CAP.

R. Clegg, A. Hillisch, F. Stühmeier, 2000, Journal of molecular biology.

Target 2035 – an update on private sector contributions

T. Willson, S. Knapp, U. Lessel, 2023, RSC medicinal chemistry.

An approach towards enhancement of a screening library: The Next Generation Library Initiative (NGLI) at Bayer - against all odds?

Hans Briem, Markus Follmann, Andreas Steinmeyer, 2019, Drug discovery today.

Protein‐Structure‐Based Prediction of Animal Model Suitability for Pharmacodynamic Studies of Subtype‐Selective Estrogens

T. Wintermantel, A. Hillisch, K. Fritzemeier, 2006, ChemMedChem.

In Silico ADMET Traffic Lights as a Tool for the Prioritization of HTS Hits

Alexander Hillisch, Heinrich Meier, Mario Lobell, 2006, ChemMedChem.

Machine Learning Applied to the Modeling of Pharmacological and ADMET Endpoints.

A. Göller, A. Hillisch, A. ter Laak, 2021, Methods in molecular biology.

Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters

Sebastian Schneckener, Alexander Hillisch, Stephan Menz, 2019, J. Chem. Inf. Model..

Bayer's in silico ADMET platform: a journey of machine learning over the past two decades.

Floriane Montanari, Sebastian Schneckener, Alexander Hillisch, 2020, Drug discovery today.

Dissecting physiological roles of estrogen receptor alpha and beta with potent selective ligands from structure-based design.

A. Hillisch, D. Kosemund, O. Peters, 2004, Molecular endocrinology.

Solution structure of a five-adenine bulge loop within a DNA duplex.

S. Diekmann, A. Hillisch, U. Dornberger, 1999, Biochemistry.

Conformational Parameters of the Sandalwood‐Odor Activity: Conformational calculations on sandalwood odor

Peter Wolschann, Gerhard Buchbauer, Alexander Hillisch, 1994 .

Reliable and Performant Identification of Low-Energy Conformers in the Gas Phase and Water

Sebastian Schneckener, Alexander Hillisch, Andreas H Göller, 2018, J. Chem. Inf. Model..

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Tudor I. Oprea, Rommie E. Amaro, Yoshua Bengio, 2021, Nature Reviews Chemistry.

Design of helical proteins for real-time endoprotease assays.

S. Diekmann, A. Hillisch, O. Hill, 2000, Analytical biochemistry.

Druggability Assessment for Selected Serine Proteases in a Pharmaceutical Industry Setting

Alexander Hillisch, Leon Wehrhan, Stefan Mundt, 2020, ChemMedChem.

Computational Chemistry in the Pharmaceutical Industry: From Childhood to Adolescence

N. Heinrich, A. Hillisch, H. Wild, 2015, ChemMedChem.

New Molecular Mechanisms of Estrogen Action and Their Impact on Future Perspectives in Estrogen Therapy

K. Korach, A. Hillisch, K. Fritzemeier, 2004, Ernst Schering Research Foundation Workshop.

Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders

A. Hillisch, K. Schlemmer, S. Roehrig, 2023, Journal of medicinal chemistry.